5914-0568 Screening compound: 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]propanamide

5914-0568 Screening compound: 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]propanamide
5914-0568 Screening compound: 3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5914-0568
3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]propanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

5914-0568

Molecular Formula

C29H33NO3 (C29 H33 NO3)

Compound Name

3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]propanamide

IUPAC name

3-(2-hydroxy-34-dimethylphenyl)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]propanamide

SMILES

Cc1c(C)c(O)c(C(CC(NCC2(CCOCC2)c2ccccc2)=O)c2ccccc2)cc1

InChI

InChI=1S/C29H33NO3/c1-21-13-14-25(28(32)22(21)2)26(23-9-5-3-6-10-23)19-27(31)30-20-29(15-17-33-18-16-29)24-11-7-4-8-12-24/h3-14,26,32H,15-20H2,1-2H3,(H,30,31)/t26-/m0/s1

InChI Key

HBJQGAJEPJHYOE-SANMLTNESA-N

MDL Number (MFCD)

MFCD03684557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.163

Distribution Coefficient, logD

6.163

Water Solubility, LogSw

-5.56

Polar Surface Area

47.475

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

5914-0568 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5914-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5914-0568?
Check Price and Availability of 5914-0568, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5914-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5914-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5914-0568
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 5914-0568 available by request